4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)di(E)-2,1-ethenediyl]bis(2-methoxyphenol) | CAS No. 828911-76-8

4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)di(E)-2,1-ethenediyl]bis(2-methoxyphenol)

Basic Information

CAS Number

828911-76-8

Molecular Formula

C27H24N2O4

Molecular Weight

440.5 g/mol

AD

Basic Physical Properties

COc1cc(ccc1O)/C=C/c2cc(n(n2)c3ccccc3)/C=C/c4ccc(c(c4)OC)O

InChI

InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+

InChIKey

QUOCIDQIFWYHLB-QHKWOANTSA-N

LogP

5.641500000000004

Topological Polar Surface Area

76.74000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

650

Synonyms & References

English

  • Phenol,4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazol-5-yl]ethenyl]-2-methoxy-
  • (4Z)-4-[(2Z)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-phenyl-1H-pyrazol-5-ylidene]ethylidene]-2-methoxycyclohexa-2,5-dien-1-one
  • 4,4'-(1E,1'E)-2,2'-(1-Phenyl-1H-pyrazole-3,5-diyl)-bis(ethene-2,1-diyl)bis(2-methoxyphenol)
  • 4,4'-(1E,1'E)-2,2'-(1-phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)
  • 4-[(E)-2-{5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-phenylpyrazol-3-yl}ethenyl]-2-methoxyphenol
  • 4,4'-((1-Phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl))bis(2-methoxyphenol)
  • AK688017
  • 4-[2-[5-[2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-2-phenylpyrazol-3-yl]ethenyl]-2-methoxyphenol

MDL Number

MFCD17019190

FAQ

What are the physical and chemical properties of 4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)di(E)-2,1-ethenediyl]bis(2-methoxyphenol) (CAS: 828911-76-8)?

The compound 4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)di(E)-2,1-ethenediyl]bis(2-methoxyphenol) is a crystalline solid with a molecular weight of approximately 487.31 g/mol. It is poorly soluble in water but has good solubility in organic solvents such as ethanol and dichloromethane. Chemically, it is stable under normal conditions but sensitive to strong acids and bases. It exhibits moderate reactivity towards nucleophiles and electrophiles, making it suitable for various chemical transformations.

How is 4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)di(E)-2,1-ethenediyl]bis(2-methoxyphenol) (CAS: 828911-76-8) typically synthesized?

This compound is typically synthesized through a multistep reaction involving the condensation of 2-methoxyphenol with 1-phenyl-1H-pyrazole-3,5-dione. The synthesis involves the use of a palladium catalyst and requires careful control of reaction conditions, such as temperature and solvent. The product is isolated by column chromatography, and its purity is confirmed by spectroscopic methods like NMR and mass spectrometry.

What industries use 4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)di(E)-2,1-ethenediyl]bis(2-methoxyphenol) (CAS: 828911-76-8)?

This compound is used in the pharmaceutical industry for the development of novel drugs, particularly in the area of anti-inflammatory and anti-cancer treatments. It also finds application in the polymer industry as a precursor for the synthesis of advanced polymers with enhanced thermal and mechanical properties. Additionally, it is explored in the field of semiconductor materials for its potential use in organic electronics and optoelectronics.

What precautions should be taken when handling 4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)di(E)-2,1-ethenediyl]bis(2-methoxyphenol) (CAS: 828911-76-8)?

When handling 4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)di(E)-2,1-ethenediyl]bis(2-methoxyphenol), it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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